Geometry & MOs

Info

ID:	239352
PubChem CID:	93166350
Reduced:	ClSN2O4C25H27 (1)
Stoich.:	ABC2D4E25F27 (1)
Weight, g/mol:	526.169306
ΔH_f, kcal/mol:	-98.4
Dipole, Da:	3.49
IP(EA), eV:	-8.85(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-N-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-methoxybenzamide

Drug info:

PubChemData

Smile

CC(C)(C)N(CC(=O)N1CCC2=C([C@H]1COC3=CC=C(C=C3)Cl)C=CS2)C(=O)C4=CC=CO4

DOS

IR

Vibrations